example_id,proto_string
CID1647,"atoms {
  atomic_num: 7
  element: ""N""
  type: ATOM_N
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP3
  acceptor: true
  donor: true
  aromatic: false
}
atoms {
  atomic_num: 7
  element: ""N""
  type: ATOM_N
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP
  acceptor: true
  donor: false
  aromatic: false
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP3
  acceptor: false
  donor: false
  aromatic: false
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP3
  acceptor: false
  donor: false
  aromatic: false
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP
  acceptor: false
  donor: false
  aromatic: false
}
atom_pairs {
  a_idx: 0
  b_idx: 1
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 1.0668185949325562
}
atom_pairs {
  a_idx: 0
  b_idx: 2
  bond_type: BOND_SINGLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 0.9241729974746704
}
atom_pairs {
  a_idx: 0
  b_idx: 3
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.8670973181724548
}
atom_pairs {
  a_idx: 0
  b_idx: 4
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.5920363068580627
}
atom_pairs {
  a_idx: 1
  b_idx: 2
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.719059944152832
}
atom_pairs {
  a_idx: 1
  b_idx: 3
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.7480682730674744
}
atom_pairs {
  a_idx: 1
  b_idx: 4
  bond_type: BOND_TRIPLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 1.0333584547042847
}
atom_pairs {
  a_idx: 2
  b_idx: 3
  bond_type: BOND_SINGLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 0.8025456070899963
}
atom_pairs {
  a_idx: 2
  b_idx: 4
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.7086160778999329
}
atom_pairs {
  a_idx: 3
  b_idx: 4
  bond_type: BOND_SINGLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 0.7995481491088867
}
labels {
  target_class: 0
  weight: 1.0
}
labels {
  target_class: 0
  weight: 6.0
}
labels {
  target_class: 1
  weight: 4.0
}
labels {
  target_value: 0.10000000149011612
  weight: 1.0
}
labels {
  target_value: 0.20000000298023224
  weight: 6.0
}
labels {
  target_value: 0.30000001192092896
  weight: 4.0
}
binary_features: false
binary_features: true
float_features: 10.0
float_features: 20.0
"
CID16760658,"atoms {
  atomic_num: 8
  element: ""O""
  type: ATOM_O
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: true
  aromatic: false
}
atoms {
  atomic_num: 8
  element: ""O""
  type: ATOM_O
  chirality: CHIRAL_NONE
  formal_charge: -1
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: false
  aromatic: false
}
atoms {
  atomic_num: 8
  element: ""O""
  type: ATOM_O
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: false
  aromatic: false
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: false
}
atom_pairs {
  a_idx: 0
  b_idx: 1
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.8751593828201294
}
atom_pairs {
  a_idx: 0
  b_idx: 2
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.8735517263412476
}
atom_pairs {
  a_idx: 0
  b_idx: 3
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.9190429449081421
}
atom_pairs {
  a_idx: 0
  b_idx: 4
  bond_type: BOND_SINGLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 1.0328326225280762
}
atom_pairs {
  a_idx: 0
  b_idx: 5
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.16072292625904083
}
atom_pairs {
  a_idx: 0
  b_idx: 6
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.9620835781097412
}
atom_pairs {
  a_idx: 0
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.9617600440979004
}
atom_pairs {
  a_idx: 0
  b_idx: 8
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 1.0769113302230835
}
atom_pairs {
  a_idx: 0
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.4734431505203247
}
atom_pairs {
  a_idx: 1
  b_idx: 2
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.8285000920295715
}
atom_pairs {
  a_idx: 1
  b_idx: 3
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.5293049216270447
}
atom_pairs {
  a_idx: 1
  b_idx: 4
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.1428997814655304
}
atom_pairs {
  a_idx: 1
  b_idx: 5
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.4368535578250885
}
atom_pairs {
  a_idx: 1
  b_idx: 6
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.9635254740715027
}
atom_pairs {
  a_idx: 1
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.2818276584148407
}
atom_pairs {
  a_idx: 1
  b_idx: 8
  bond_type: BOND_NONE
  graph_distance: 5
  same_ring: false
  spatial_distance: 0.7309352159500122
}
atom_pairs {
  a_idx: 1
  b_idx: 9
  bond_type: BOND_SINGLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 1.0259017944335938
}
atom_pairs {
  a_idx: 2
  b_idx: 3
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.3361455798149109
}
atom_pairs {
  a_idx: 2
  b_idx: 4
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.9470534920692444
}
atom_pairs {
  a_idx: 2
  b_idx: 5
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.8230422139167786
}
atom_pairs {
  a_idx: 2
  b_idx: 6
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.44069671630859375
}
atom_pairs {
  a_idx: 2
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.17733077704906464
}
atom_pairs {
  a_idx: 2
  b_idx: 8
  bond_type: BOND_NONE
  graph_distance: 5
  same_ring: false
  spatial_distance: 0.20643402636051178
}
atom_pairs {
  a_idx: 2
  b_idx: 9
  bond_type: BOND_DOUBLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 0.541533350944519
}
atom_pairs {
  a_idx: 3
  b_idx: 4
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.10921487957239151
}
atom_pairs {
  a_idx: 3
  b_idx: 5
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.8757478594779968
}
atom_pairs {
  a_idx: 3
  b_idx: 6
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.1758444905281067
}
atom_pairs {
  a_idx: 3
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.6196718811988831
}
atom_pairs {
  a_idx: 3
  b_idx: 8
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: true
  spatial_distance: 0.6075673699378967
}
atom_pairs {
  a_idx: 3
  b_idx: 9
  bond_type: BOND_SINGLE
  graph_distance: 1
  same_ring: false
  spatial_distance: 0.8088921308517456
}
atom_pairs {
  a_idx: 4
  b_idx: 5
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.2804655432701111
}
atom_pairs {
  a_idx: 4
  b_idx: 6
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.11864489316940308
}
atom_pairs {
  a_idx: 4
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: true
  spatial_distance: 0.6594048738479614
}
atom_pairs {
  a_idx: 4
  b_idx: 8
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.1628769338130951
}
atom_pairs {
  a_idx: 4
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.10869913548231125
}
atom_pairs {
  a_idx: 5
  b_idx: 6
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: true
  spatial_distance: 0.9053055047988892
}
atom_pairs {
  a_idx: 5
  b_idx: 7
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 1.0926905870437622
}
atom_pairs {
  a_idx: 5
  b_idx: 8
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.6091905832290649
}
atom_pairs {
  a_idx: 5
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.9030553102493286
}
atom_pairs {
  a_idx: 6
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 1.0089446306228638
}
atom_pairs {
  a_idx: 6
  b_idx: 8
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 1.0289143323898315
}
atom_pairs {
  a_idx: 6
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.5234137773513794
}
atom_pairs {
  a_idx: 7
  b_idx: 8
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.8530494570732117
}
atom_pairs {
  a_idx: 7
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.9280093312263489
}
atom_pairs {
  a_idx: 8
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.9614015817642212
}
labels {
  target_class: 0
  weight: 2.0
}
labels {
  target_class: 1
  weight: 8.0
}
labels {
  target_class: 0
  weight: 3.0
}
labels {
  target_value: 0.4000000059604645
  weight: 2.0
}
labels {
  target_value: 0.5
  weight: 8.0
}
labels {
  target_value: 0.6000000238418579
  weight: 3.0
}
binary_features: false
binary_features: true
float_features: 10.0
float_features: 20.0
"
CID190,"atoms {
  atomic_num: 7
  element: ""N""
  type: ATOM_N
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 5
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: true
  aromatic: true
}
atoms {
  atomic_num: 7
  element: ""N""
  type: ATOM_N
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 5
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 7
  element: ""N""
  type: ATOM_N
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 7
  element: ""N""
  type: ATOM_N
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 7
  element: ""N""
  type: ATOM_N
  chirality: CHIRAL_NONE
  formal_charge: 0
  hybridization: HYBRIDIZATION_SP2
  acceptor: true
  donor: true
  aromatic: false
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 5
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 5
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 5
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atoms {
  atomic_num: 6
  element: ""C""
  type: ATOM_C
  chirality: CHIRAL_NONE
  formal_charge: 0
  ring_sizes: 6
  hybridization: HYBRIDIZATION_SP2
  acceptor: false
  donor: false
  aromatic: true
}
atom_pairs {
  a_idx: 0
  b_idx: 1
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.255948930978775
}
atom_pairs {
  a_idx: 0
  b_idx: 2
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.4195205271244049
}
atom_pairs {
  a_idx: 0
  b_idx: 3
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.5347880721092224
}
atom_pairs {
  a_idx: 0
  b_idx: 4
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.18531100451946259
}
atom_pairs {
  a_idx: 0
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  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.8665670156478882
}
atom_pairs {
  a_idx: 0
  b_idx: 6
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.592585027217865
}
atom_pairs {
  a_idx: 0
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 0.1105327308177948
}
atom_pairs {
  a_idx: 0
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  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 1.0126336812973022
}
atom_pairs {
  a_idx: 0
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.7542139291763306
}
atom_pairs {
  a_idx: 1
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  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: false
  spatial_distance: 1.050415277481079
}
atom_pairs {
  a_idx: 1
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  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.21345926821231842
}
atom_pairs {
  a_idx: 1
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  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 1.0695667266845703
}
atom_pairs {
  a_idx: 1
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  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.601305365562439
}
atom_pairs {
  a_idx: 1
  b_idx: 6
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.38307011127471924
}
atom_pairs {
  a_idx: 1
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.34283384680747986
}
atom_pairs {
  a_idx: 1
  b_idx: 8
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.4273018538951874
}
atom_pairs {
  a_idx: 1
  b_idx: 9
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: false
  spatial_distance: 0.21800121665000916
}
atom_pairs {
  a_idx: 2
  b_idx: 3
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.3662334978580475
}
atom_pairs {
  a_idx: 2
  b_idx: 4
  bond_type: BOND_NONE
  graph_distance: 4
  same_ring: false
  spatial_distance: 0.571965754032135
}
atom_pairs {
  a_idx: 2
  b_idx: 5
  bond_type: BOND_NONE
  graph_distance: 2
  same_ring: true
  spatial_distance: 0.9518089294433594
}
atom_pairs {
  a_idx: 2
  b_idx: 6
  bond_type: BOND_AROMATIC
  graph_distance: 1
  same_ring: true
  spatial_distance: 0.6399216651916504
}
atom_pairs {
  a_idx: 2
  b_idx: 7
  bond_type: BOND_NONE
  graph_distance: 3
  same_ring: true
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